%chk=000040741.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040741

0 1
 O    2.059500     -0.2392000      0.4189000    
 O   -1.077500       2.391900      0.3987000    
 O    1.407500       1.758200       1.359100    
 N    5.712900     -0.6459000      0.1165000    
 N   -4.092300      -1.315300      0.1212000    
 C    4.302700     -0.9900000      1.3600000E-02
 C    6.545100      -1.850600      7.1900003E-02
 C    6.100900      0.2761000     -0.9538000    
 C    3.434800      0.1344000      0.5558000    
 C   -6.493400      -1.329600     -0.3355000    
 C   -5.244800     -0.4798000     -0.1156000    
 C   -7.735200     -0.4868000     -0.6375000    
 C   -2.809100     -0.8236000      0.3031000    
 C    6.394400      -2.573300      -1.255900    
 C    7.554200      0.6967000     -0.8162000    
 C  -0.2264000      0.1657000      0.6671000    
 C   -1.285200       1.045700      0.4430000    
 C   -2.576600      0.5511000      0.2608000    
 C   -1.750400      -1.703600      0.5271000    
 C  -0.4589000      -1.209000      0.7092000    
 C    1.129400      0.6614000      0.8594000    
 C   -8.946600      -1.362900     -0.9162000    
 C   -1.421200       3.060600     -0.8130000    
 C  -0.5238000       4.268000     -0.9816000    
 H    4.070700      -1.885200      0.6069000    
 H    3.989900      -1.224200      -1.012500    
 H    7.598400      -1.631900      0.2769000    
 H    6.246000      -2.526300      0.8839000    
 H    5.516500       1.198800     -0.8651000    
 H    5.901300     -0.1007000      -1.963200    
 H    3.585200       1.067300      3.8000001E-03
 H    3.654600      0.3073000       1.616300    
 H   -6.315800      -2.025100      -1.166100    
 H   -6.677200      -1.947900      0.5525000    
 H   -5.084700      0.1390000      -1.006900    
 H   -5.412700      0.1849000      0.7403000    
 H   -7.950600      0.1729000      0.2109000    
 H   -7.547700      0.1528000      -1.507700    
 H    6.965500      -3.508600      -1.208600    
 H    6.805500      -2.016400      -2.102300    
 H    5.364700      -2.861900      -1.484200    
 H    7.751200       1.553100      -1.471000    
 H    8.251000     -9.2100002E-02  -1.115000    
 H    7.790600       1.009700      0.2067000    
 H   -4.221400      -2.320300      0.1691000    
 H   -3.383900       1.259800      0.1006000    
 H   -1.918300      -2.777100      0.5650000    
 H   0.3418000      -1.920100      0.8953000    
 H   -9.178500      -1.996900     -5.4499999E-02
 H   -9.822900     -0.7418000      -1.126900    
 H   -8.772600      -2.009600      -1.782200    
 H   -1.297900       2.396500      -1.677500    
 H   -2.467500       3.380600     -0.7591000    
 H  -0.6262000       4.947000     -0.1286000    
 H   0.5274000       3.963700      -1.021500    
 H  -0.7687000       4.812700      -1.897800    


%chk=000040741-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040741

0 1
O 2.230624 -0.193972 -0.004984
O -1.000284 2.608791 -0.063728
O 1.691718 2.069867 0.112436
N 5.927914 -0.778545 -0.030607
N -4.028808 -1.240731 -0.377028
C 4.476143 -1.080451 -0.080166
C 6.739785 -1.815443 0.652530
C 6.464339 -0.302780 -1.330953
C 3.655080 0.201305 0.123270
C -6.501019 -1.376655 -0.456385
C -5.266630 -0.455399 -0.403861
C -7.827528 -0.584834 -0.492961
C -2.751364 -0.703574 -0.289306
C 6.855508 -3.186948 -0.070288
C 7.841898 0.375481 -1.211152
C -0.087589 0.373210 -0.095835
C -1.234424 1.237060 -0.127698
C -2.542058 0.702311 -0.222959
C -1.614910 -1.569972 -0.262812
C -0.330262 -1.030052 -0.168751
C 1.297365 0.881955 0.012734
C -9.066722 -1.504129 -0.532194
C -2.152352 3.532869 -0.089028
C -1.570550 4.941435 -0.002541
H 4.227066 -1.789654 0.730534
H 4.165099 -1.562845 -1.036745
H 7.752956 -1.406673 0.822848
H 6.298306 -1.970308 1.655692
H 5.745088 0.436248 -1.730894
H 6.518501 -1.125013 -2.089344
H 3.887647 0.976172 -0.629386
H 3.832907 0.633846 1.123586
H -6.437998 -2.026179 -1.353942
H -6.497557 -2.045660 0.428608
H -5.274472 0.221972 -1.285799
H -5.328605 0.189852 0.499347
H -7.883560 0.075086 0.396289
H -7.831085 0.081651 -1.378964
H 7.448515 -3.892054 0.541942
H 7.355579 -3.090821 -1.051334
H 5.859434 -3.637124 -0.236666
H 8.132729 0.819403 -2.181032
H 8.634644 -0.338138 -0.922384
H 7.805416 1.177841 -0.453340
H -4.114311 -2.255953 -0.423500
H -3.402382 1.373087 -0.247933
H -1.755749 -2.656171 -0.314192
H 0.539075 -1.691340 -0.146442
H -9.104892 -2.157285 0.359692
H -10.002111 -0.916590 -0.560424
H -9.050364 -2.155840 -1.425882
H -2.724176 3.388211 -1.029295
H -2.819879 3.317382 0.771104
H -0.989983 5.062246 0.927197
H -0.895259 5.132693 -0.853171
H -2.382754 5.691359 -0.016301


